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CHEBI:181965 - [(1S,2S,3R,5S,8R,9R,10R,14S)-2,5,9,10-tetraacetyloxy-8,12,15,15-tetramethyl-4-methylidene-14-tricyclo[9.3.1.03,8]pentadec-11-enyl] 2-methylbutanoate

ChEBI IDCHEBI:181965
ChEBI Name[(1S,2S,3R,5S,8R,9R,10R,14S)-2,5,9,10-tetraacetyloxy-8,12,15,15-tetramethyl-4-methylidene-14-tricyclo[9.3.1.03,8]pentadec-11-enyl] 2-methylbutanoate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H48O10
Net Charge0
Average Mass604.737
Monoisotopic Mass604.32475
SMILES[H][C@]12[C@@H](OC(=O)C(C)CC)CC(C)=C([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)CC[C@H](OC(C)=O)C(=C)[C@@]3([H])[C@@H]1OC(C)=O)C2(C)C
InChIInChI=1S/C33H48O10/c1-12-16(2)31(38)43-24-15-17(3)25-29(41-21(7)36)30(42-22(8)37)33(11)14-13-23(39-19(5)34)18(4)26(33)28(40-20(6)35)27(24)32(25,9)10/h16,23-24,26-30H,4,12-15H2,1-3,5-11H3/t16?,23-,24-,26-,27-,28-,29+,30-,33+/m0/s1
InChIKeyNDUFGVRVJKHNKE-CFBDZCFDSA-N
ChEBI Ontology
Outgoing Relation(s)
[(1S,2S,3R,5S,8R,9R,10R,14S)-2,5,9,10-tetraacetyloxy-8,12,15,15-tetramethyl-4-methylidene-14-tricyclo[9.3.1.03,8]pentadec-11-enyl] 2-methylbutanoate (CHEBI:181965) is a taxane diterpenoid (CHEBI:50367)
IUPAC Name 
[(1S,2S,3R,5S,8R,9R,10R,14S)-2,5,9,10-tetraacetyloxy-8,12,15,15-tetramethyl-4-methylidene-14-tricyclo[9.3.1.03,8]pentadec-11-enyl] 2-methylbutanoate
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